3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide

C22H20ClN3O2 — CID 110121992

IUPAC3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN3O2/c1-15(27)25-13-16-6-4-8-17(12-16)19-9-5-11-24-21(19)22(28)26-14-18-7-2-3-10-20(18)23/h2-12H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWXBMJRNUOZLOKQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.97
Rot. Bonds6

About 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide

3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 110121992) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID110121992
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN3O2/c1-15(27)25-13-16-6-4-8-17(12-16)19-9-5-11-24-21(19)22(28)26-14-18-7-2-3-10-20(18)23/h2-12H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWXBMJRNUOZLOKQ-UHFFFAOYSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025
N-[(2-chlorophenyl)methyl]isoquinoline-1-carboxamide
CID 110851409
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
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N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide
CID 157020169
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
CID 173090608
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084

Frequently Asked Questions

What is the IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (CID 110121992) is 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is CC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is WXBMJRNUOZLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15(27)25-13-16-6-4-8-17(12-16)19-9-5-11-24-21(19)22(28)26-14-18-7-2-3-10-20(18)23/h2-12H,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110121992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).